Publicaciones en colaboración con investigadores/as de University of Bologna (114)

2024

  1. Molecular structure and internal dynamics of the antioxidant 2,6-di-tert-butylphenol

    Journal of Molecular Structure, Vol. 1296

2023

  1. A Competition between Relative Stability and Binding Energy in Caffeine Phenyl-Glucose Aggregates: Implications in Biological Mechanisms

    International Journal of Molecular Sciences, Vol. 24, Núm. 5

  2. Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine

    Chemistry - A European Journal, Vol. 29, Núm. 24

  3. Rotational Spectroscopy Probes Lone Pair···π-Hole Interactions in Hexafluorobenzene-Tertiary Alkylamines Complexes

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 23, pp. 5335-5342

  4. Structure and dynamics of 3′-aminoacetophenone and 4′-aminoacetophenone from rotational spectroscopy

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 3, pp. 1881-1890

  5. The Structure of 2,6-Di-tert-butylphenol–Argon by Rotational Spectroscopy

    Molecules, Vol. 28, Núm. 24

2022

  1. Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods

    Molecules (Basel, Switzerland), Vol. 27, Núm. 8

  2. Probing intra- and inter-molecular interactions through rotational spectroscopy: The case of the odorant 2'-aminoacetophenone and its 1:1 water and neon complexes

    The Journal of chemical physics, Vol. 157, Núm. 14, pp. 144303

  3. Structure and dynamics of methacrylamide, a computational and free-jet rotational spectroscopic study

    Journal of Molecular Structure, Vol. 1248

  4. The Shapes of Sulfonamides: A Rotational Spectroscopy Study

    Molecules, Vol. 27, Núm. 9

  5. Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine

    Journal of Chemical Physics, Vol. 157, Núm. 7

2021

  1. Characterizing hydrogen and tetrel bonds in clusters of CO2with carboxylic acids

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 31, pp. 16915-16922

  2. Characterizing the lone pair⋯π-hole interaction in complexes of ammonia with perfluorinated arenes

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 15, pp. 9121-9129

  3. Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry

    Journal of Physical Chemistry A, Vol. 125, Núm. 10, pp. 2121-2129

  4. How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct

    Chemistry - A European Journal, Vol. 27, Núm. 55, pp. 13870-13878

  5. Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy

    ChemPlusChem, Vol. 86, Núm. 10, pp. 1374-1386

  6. Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 249

  7. The GUAPOS project: II. A comprehensive study of peptide-like bond molecules

    Astronomy and Astrophysics, Vol. 653

  8. The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane

    Angewandte Chemie - International Edition, Vol. 60, Núm. 31, pp. 16894-16899

2020

  1. Chlorination and tautomerism: A computational and UPS/XPS study of 2-hydroxypyridine ⇌ 2-pyridone equilibrium

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 24, pp. 13440-13455